2-naphthalen-2-ylsulfanylpyrimidine

C14H10N2S — CID 9119318

IUPAC2-naphthalen-2-ylsulfanylpyrimidine
SMILESc1cnc(Sc2ccc3ccccc3c2)nc1
InChIInChI=1S/C14H10N2S/c1-2-5-12-10-13(7-6-11(12)4-1)17-14-15-8-3-9-16-14/h1-10H
InChIKeyCBNULIBOJUCELB-UHFFFAOYSA-N
MW238.32 g/mol
LogP3.78
Rot. Bonds2

About 2-naphthalen-2-ylsulfanylpyrimidine

2-naphthalen-2-ylsulfanylpyrimidine (PubChem CID 9119318) has the molecular formula C14H10N2S and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanylpyrimidine
PubChem CID9119318
Molecular FormulaC14H10N2S
Molecular Weight238.32 g/mol
Exact Mass238.06
IUPAC Name2-naphthalen-2-ylsulfanylpyrimidine
SMILESc1cnc(Sc2ccc3ccccc3c2)nc1
InChIInChI=1S/C14H10N2S/c1-2-5-12-10-13(7-6-11(12)4-1)17-14-15-8-3-9-16-14/h1-10H
InChIKeyCBNULIBOJUCELB-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-({2-[(4-Methylphenyl)thio]ethyl}thio)pyrimidine
CID 2948897
2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide
CID 2358893
acs.jmedchem.1c00409_ST.268
CID 145960550
4-Chloro-6-(2-naphthylsulfanyl)-2-pyrimidinamine
CID 1484529
2-Benzylsulfanylpyrimidine
CID 472960
2-Chloro-4-[(4-methylphenyl)sulfanyl]pyrimidine
CID 18327475
5-(Naphthalen-2-ylsulfanylmethyl)pyrimidine-2,4-diamine
CID 516693
1-Pyrimidin-2-ylsulfanylisoquinoline
CID 156018269
2-(2-Naphthylmethylsulfanyl)pyrimidin-4-amine
CID 308585
4-Chloro-2-(2-naphthylmethylsulfanyl)pyrimidine
CID 470502
2-[(Naphthalen-2-yl)sulfanyl]pyrimidin-4-amine
CID 71400357
4-Benzylsulfanylpyrimidin-2-amine
CID 238734

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanylpyrimidine?
The IUPAC name of 2-naphthalen-2-ylsulfanylpyrimidine (CID 9119318) is 2-naphthalen-2-ylsulfanylpyrimidine.
What is the SMILES notation for 2-naphthalen-2-ylsulfanylpyrimidine?
The canonical SMILES for 2-naphthalen-2-ylsulfanylpyrimidine is c1cnc(Sc2ccc3ccccc3c2)nc1.
What is the InChIKey of 2-naphthalen-2-ylsulfanylpyrimidine?
The InChIKey is CBNULIBOJUCELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c1-2-5-12-10-13(7-6-11(12)4-1)17-14-15-8-3-9-16-14/h1-10H.
What are the key properties of 2-naphthalen-2-ylsulfanylpyrimidine?
2-naphthalen-2-ylsulfanylpyrimidine has a molecular weight of 238.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanylpyrimidine is sourced from PubChem (CID 9119318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).